Abyssinol A
TL;DR: Abyssinol A (CAS 96819-81-7) is a chemical compound with molecular formula C24H26O6 and molecular weight 410.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,5R,7R,8R,11R,15S,16R)-8-hydroxy-16-methyl-14-oxo-15-(6-oxopyran-3-yl)-6-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-12-ene-2-carbaldehyde
Also Known As: Abyssinol A, 5-Hydroxy-16,19-dioxo-3,4-epoxybufa-14,20,22-trienolide, Pyridazino(4,3-c)isoquinoline, 3-phenyl-6-(1-pyrrolidinyl)-, 5-Hydroxy-16,19-dioxo-3alpha,4alpha,5beta-3,4-epoxybufa-14,20,22-trienolide
| Molecular Formula | C24H26O6 |
|---|---|
| Molecular Weight | 410.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.17294 |
| Heavy Atoms | 30 |
| Complexity | 961.0 |
Chemical Identifiers
| CAS Number | 96819-81-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H](C1=CC(=O)[C@@H]2C4=COC(=O)C=C4)CC[C@]5([C@@]3(CC[C@@H]6[C@H]5O6)C=O)O |
| InChIKey | HSQFCRZMISXFOQ-UKVKCERXSA-N |
Product Overview
Abyssinol A (CAS 96819-81-7), with molecular formula C24H26O6 and molecular weight 410.17 g/mol. IUPAC: (1S,2S,5R,7R,8R,11R,15S,16R)-8-hydroxy-16-methyl-14-oxo-15-(6-oxopyran-3-yl)-6-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-12-ene-2-carbaldehyde.
Chemical Property Profile of Abyssinol A
Property Insights of Abyssinol A
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Abyssinol A. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Abyssinol A. Following Lipinski's Rule of Five, Abyssinol A has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Abyssinol A?
The CAS number of Abyssinol A is 96819-81-7.
What is the molecular formula of Abyssinol A?
The molecular formula of Abyssinol A is C24H26O6.
What is the molecular weight of Abyssinol A?
The molecular weight of Abyssinol A is 410.17 g/mol.
Where can I buy Abyssinol A?
You can request a quote for Abyssinol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abyssinol A?
Yes, KEHONG BIO provides custom synthesis services for Abyssinol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.